NHC-Stabilised Acetylene-How Far Can the Analogy Be Pushed?

Dayne C. Georgiou; Lili Zhao; David J. D. Wilson; Gernot Frenking; Jason L. Dutton

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NHC-Stabilised Acetylene-How Far Can the Analogy Be Pushed?

机译：NHC稳定的乙炔 - 比喻可以推动多远？

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Experimental studies suggest that the compound (NHC~(bz))_2C_2H_2 can be considered as a complex of a distorted acetylene fragment which is stabilised by benzoannelated Nheterocyclic carbene ligands (NHC~(bz))→(C_2H_2) →(NHC~(bz)). A quantum chemical analysis of the electronic structures shows that the description with dative bonds is more favourable than with electron-sharing double bonds (NHC~(bz))= (C_2H_2)=(NHC~(bz)).

机译：实验研究表明，化合物（NHC〜（BZ））_ 2C_2H_2可以被认为是由苯并笼状的Nheternated Nheternicyclic Carbene配体稳定的扭曲乙炔片段的复合物（NHC〜（BZ））→（C_2H_2）→（NHC〜（BZ ）））。电子结构的量子化学分析表明，具有DIST键的描述比用电子共享双键（NHC〜（BZ））=（C_2H_2）=（NHC〜（BZ））更有利。

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来源
《Chemistry: A European journal》 |2017年第12期|共9页
作者
Dayne C. Georgiou; Lili Zhao; David J. D. Wilson; Gernot Frenking; Jason L. Dutton;
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作者单位

Department of Chemistry La Trobe Institute for Molecular Science La Trobe University Melbourne Victoria 3086 (Australia);

Institute of Advanced Synthesis School of Chemistry and Molecular Engineering Jiangsu National Synergetic Innovation Center for Advanced Materials Nanjing Tech University Nanjing 211816 (China);

Department of Chemistry La Trobe Institute for Molecular Science La Trobe University Melbourne Victoria 3086 (Australia);

Institute of Advanced Synthesis School of Chemistry and Molecular Engineering Jiangsu National Synergetic Innovation Center for Advanced Materials Nanjing Tech University Nanjing 211816 (China);

Department of Chemistry La Trobe Institute for Molecular Science La Trobe University Melbourne Victoria 3086 (Australia);

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原文格式 PDF
正文语种 eng
中图分类应用化学;
关键词
bonding analysis; dative bonding; metal carbene complexes; quantum chemical calculations;

机译：键合分析;DIVATIAD键合;金属卡宾配合物;量子化学计算;

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1. NHC-Stabilised Acetylene-How Far Can the Analogy Be Pushed? [J] . Dayne C. Georgiou, Lili Zhao, David J. D. Wilson, Chemistry: A European journal . 2017,第12期

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6. Silicon(i) chemistry: the NHC-stabilised silicon(i) halides Si2X2(Idipp)2 (X = Br I) and the disilicon(i)-iodido cation Si2(I)(Idipp)2+ [O] . Marius I. Arz, Daniel Geiß, Martin Straßmann, 2015

机译：硅化学：NHC稳定的卤化硅Si2X2（Idipp）2（X = BrI）和二硅（i）-碘阳离子Si2（I）（Idipp）2 +
7. Silicon(i) chemistry: the NHC-stabilised silicon(i) halides Si2X2(Idipp)2(X = Br, I) and the disilicon(i)-iodido cation Si2(I)(Idipp)2+ [O] . Marius I. Arz, Daniel Geiß, Martin Straßmann, 2015

机译：硅（I）化学：NHC稳定的硅（I）卤化物Si2×2（Idipp）2（X = Br，I）和二氧化硅（I）-idido阳离子Si2（I）（Idipp）2 +

NHC-Stabilised Acetylene-How Far Can the Analogy Be Pushed?

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